4-(hydroxymethoxy)-5-methyloxolan-3-ol

C6H12O4 — CID 67613171

IUPAC4-(hydroxymethoxy)-5-methyloxolan-3-ol
SMILESCC1OCC(O)C1OCO
InChIInChI=1S/C6H12O4/c1-4-6(10-3-7)5(8)2-9-4/h4-8H,2-3H2,1H3
InChIKeyRNCZDDGWJYCWPI-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.90
Rot. Bonds2

About 4-(hydroxymethoxy)-5-methyloxolan-3-ol

4-(hydroxymethoxy)-5-methyloxolan-3-ol (PubChem CID 67613171) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 4-(hydroxymethoxy)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name4-(hydroxymethoxy)-5-methyloxolan-3-ol
PubChem CID67613171
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name4-(hydroxymethoxy)-5-methyloxolan-3-ol
SMILESCC1OCC(O)C1OCO
InChIInChI=1S/C6H12O4/c1-4-6(10-3-7)5(8)2-9-4/h4-8H,2-3H2,1H3
InChIKeyRNCZDDGWJYCWPI-UHFFFAOYSA-N
XLogP-0.90
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethoxy)-5-methyloxolan-3-ol?
The IUPAC name of 4-(hydroxymethoxy)-5-methyloxolan-3-ol (CID 67613171) is 4-(hydroxymethoxy)-5-methyloxolan-3-ol.
What is the SMILES notation for 4-(hydroxymethoxy)-5-methyloxolan-3-ol?
The canonical SMILES for 4-(hydroxymethoxy)-5-methyloxolan-3-ol is CC1OCC(O)C1OCO.
What is the InChIKey of 4-(hydroxymethoxy)-5-methyloxolan-3-ol?
The InChIKey is RNCZDDGWJYCWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-4-6(10-3-7)5(8)2-9-4/h4-8H,2-3H2,1H3.
What are the key properties of 4-(hydroxymethoxy)-5-methyloxolan-3-ol?
4-(hydroxymethoxy)-5-methyloxolan-3-ol has a molecular weight of 148.16 g/mol, XLogP of -0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethoxy)-5-methyloxolan-3-ol is sourced from PubChem (CID 67613171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).